SCHEMBL18211891

SCHEMBL18211891

Cc1ncc(CN2CCCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
NCF1 P14598 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14566680 0.98 HRH3 (0.54) HRH3CHRNB2CHRNA4HRH4NCF1
SCHEMBL20311160 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ETSHR
SCHEMBL14566661 0.84 MC4R (0.53) HRH3NCF1ALDH1A1KDM4E
SCHEMBL14606256 0.82 HRH3 (0.52) HRH3NCF1ALDH1A1CYP2C19
SCHEMBL14606249 0.82 SIGMAR1 (0.52) HRH3
SCHEMBL20311315 0.81 HRH3 (0.41) HRH3ALDH1A1
SCHEMBL15214316 0.81 ACHE (0.56) HRH3ALDH1A1
SCHEMBL25457360 0.81 HRH3 (0.44) HRH3CHRNB2CHRNA4HRH4ALDH1A1
SCHEMBL18705075 0.80 HRH3 (0.48) HRH3ALDH1A1KDM4E
SCHEMBL20311330 0.79 HRH3 (0.56) HRH3CHRNB2CHRNA4HRH4NCF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2023-05-18 US disclosed
EP-3091008-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2016-11-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230151002-A1 6-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 HRH3 220/4885CHRNB2 1796/4885CHRNA4 2259/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.